7-Chloroquinoline-3,8-dicarboxylic acid

Base Information

• Chemical Name: 7-Chloroquinoline-3,8-dicarboxylic acid
• CAS No.: 90717-07-0
• Molecular Formula: C11H6 Cl N O4
• Molecular Weight: 251.62264
• DSSTox Substance ID: DTXSID00536258
• Nikkaji Number: J958.695D
• Wikidata: Q82410863

Synonyms:7-chloroquinoline-3,8-dicarboxylic acid;90717-07-0;3,8-Quinolinedicarboxylicacid, 7-chloro-;Quinmerac metabolite BH 518-2;quinmerac TP1;Quinmerac Metabolite BH 518-2;Quinmerac metabolite BH2;7-Chloro-3,8-quinolinedicarboxylic acid;BAS 518-2;3,8-Quinolinedicarboxylic acid, 7-chloro-;SCHEMBL352513;DTXSID00536258;SB71397;Quinmerac-3,8-dicarboxylic Acid (~90%);NS00009051;EN300-6479160;Quinmerac metabolite BH 518-2 100 microg/mL in Acetone

Chemical Property of 7-Chloroquinoline-3,8-dicarboxylic acid

Chemical Property:

• Melting Point: >200°C (dec.)
• PSA: 87.49000
• LogP: 2.28460
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 250.9985354
• Heavy Atom Count: 17
• Complexity: 335

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C2=NC=C(C=C21)C(=O)O)C(=O)O)Cl
• Uses: Quinmerac-3,8-dicarboxylic Acid is a impurity of Quinmerac (Q696500(P)) which is a Auxin-type herbicide.

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